1-methyl-2-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine

C16H18N4O — CID 56719313

IUPAC1-methyl-2-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCC1c2cccn2CCN1Cc1ccc(-c2ccn[nH]2)o1
InChIInChI=1S/C16H18N4O/c1-12-15-3-2-8-19(15)9-10-20(12)11-13-4-5-16(21-13)14-6-7-17-18-14/h2-8,12H,9-11H2,1H3,(H,17,18)
InChIKeyVRFLSQSSSLGGRU-UHFFFAOYSA-N
MW282.35 g/mol
LogP3.05
Rot. Bonds3

About 1-methyl-2-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine

1-methyl-2-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 56719313) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 1-methyl-2-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name1-methyl-2-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID56719313
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name1-methyl-2-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCC1c2cccn2CCN1Cc1ccc(-c2ccn[nH]2)o1
InChIInChI=1S/C16H18N4O/c1-12-15-3-2-8-19(15)9-10-20(12)11-13-4-5-16(21-13)14-6-7-17-18-14/h2-8,12H,9-11H2,1H3,(H,17,18)
InChIKeyVRFLSQSSSLGGRU-UHFFFAOYSA-N
XLogP3.05
TPSA49.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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1-[3-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]-N-(pyridin-4-ylmethyl)-N-(tetrahydrofuran-2-ylmethyl)methanamine
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(1-{[3-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl}piperidin-3-yl)(pyridin-2-yl)methanone
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2-[1-tert-butyl-5-(1H-pyrrol-2-yl)pyrazol-3-yl]-1,3-benzoxazole
CID 163363526
US11026923, Example 202
CID 155773327
1-[(3-methylpyridin-2-yl)methyl]-4-{[5-(1H-pyrazol-3-yl)-2-furyl]methyl}piperazine
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of 1-methyl-2-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine (CID 56719313) is 1-methyl-2-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 1-methyl-2-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 1-methyl-2-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine is CC1c2cccn2CCN1Cc1ccc(-c2ccn[nH]2)o1.
What is the InChIKey of 1-methyl-2-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is VRFLSQSSSLGGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-12-15-3-2-8-19(15)9-10-20(12)11-13-4-5-16(21-13)14-6-7-17-18-14/h2-8,12H,9-11H2,1H3,(H,17,18).
What are the key properties of 1-methyl-2-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
1-methyl-2-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 282.35 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 56719313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).